CAS 53282-28-3

Chemistry, 1 End Use API, 2 Related Intermediates

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Also known as: 53282-28-3, ((2e,4e)-3-methyl-5-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-2,4-dien-1-yl)triphenylphosphonium chloride, [(2e,4e)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienyl]-triphenylphosphanium;chloride, (e,e)-(3-methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)penta-2,4-dienyl)triphenylphosphonium chloride, Phosphonium,[(2e,4e)-3-methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4-pentadienyl]triphenyl-, chloride, Einecs 258-461-0

Molecular Formula

C₃₃H₃₈ClP

Molecular Weight

501.1 g/mol

InChI Key

CWNBBYCRJLETKC-IUKQBHTCSA-M

1 2D Structure

CAS 53282-28-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienyl]-triphenylphosphanium;chloride

2.1.2 InChI

InChI=1S/C33H38P.ClH/c1-27(22-23-32-28(2)15-14-25-33(32,3)4)24-26-34(29-16-8-5-9-17-29,30-18-10-6-11-19-30)31-20-12-7-13-21-31;/h5-13,16-24H,14-15,25-26H2,1-4H3;1H/q+1;/p-1/b23-22+,27-24+;

2.1.3 InChI Key

CWNBBYCRJLETKC-IUKQBHTCSA-M

2.1.4 Canonical SMILES

CC1=C(C(CCC1)(C)C)C=CC(=CC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C.[Cl-]

2.1.5 Isomeric SMILES

CC1=C(C(CCC1)(C)C)/C=C/C(=C/C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)/C.[Cl-]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 53282-28-3

2. ((2e,4e)-3-methyl-5-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-2,4-dien-1-yl)triphenylphosphonium Chloride

3. [(2e,4e)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienyl]-triphenylphosphanium;chloride

4. (e,e)-(3-methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)penta-2,4-dienyl)triphenylphosphonium Chloride

5. Phosphonium,[(2e,4e)-3-methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4-pentadienyl]triphenyl-, Chloride

6. Einecs 258-461-0

7. Schembl7854345

8. ((2e,4e)-3-methyl-5-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-2,4-dien-1-yl)triphenylphosphoniumchloride

9. [(2e,4e)-3-methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4-pentadienyl] (triphenyl)phosphonium Chloride

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₃₃H₃₈ClP
Molecular Weight	501.1 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	7
Exact Mass	500.2399659 g/mol
Monoisotopic Mass	500.2399659 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	687
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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CAS Number

53282-28-3

End Use API

Isotretinoin

About the Company

Founded in 2005, Hangzhou Deli Chemical Co., Ltd. is a specialized manufacturing factory of APIs, pharmac...

Founded in 2005, Hangzhou Deli Chemical Co., Ltd. is a specialized manufacturing factory of APIs, pharmaceutical intermediates and other chemicals, with production bases in Huzhou, Yuhang and Jiande. Our first factory is located in Tangxi Industrial Park of Yuhang District in Hangzhou city, with over 110,000 sqm of lands. There are independent R&D team and well-trained workforces in our company. Well-known for complete production equipments, advanced production methods and a full suite of inspection facilities, we develop, design and produce independently. In collaboration with laboratories of Zhejiang University

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